4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide

C22H22O — CID 101200919

IUPAC4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide
SMILES[C-]1=[O+]CCC1(C/C=C/c1ccccc1)C/C=C/c1ccccc1
InChIInChI=1S/C22H22O/c1-3-9-20(10-4-1)13-7-15-22(17-18-23-19-22)16-8-14-21-11-5-2-6-12-21/h1-14H,15-18H2/b13-7+,14-8+
InChIKeyZVSIJPAGOLAEFH-FNCQTZNRSA-N
MW302.42 g/mol
LogP5.23
Rot. Bonds6

About 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide

4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide (PubChem CID 101200919) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide.

Molecular Properties

Compound Name4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide
PubChem CID101200919
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide
SMILES[C-]1=[O+]CCC1(C/C=C/c1ccccc1)C/C=C/c1ccccc1
InChIInChI=1S/C22H22O/c1-3-9-20(10-4-1)13-7-15-22(17-18-23-19-22)16-8-14-21-11-5-2-6-12-21/h1-14H,15-18H2/b13-7+,14-8+
InChIKeyZVSIJPAGOLAEFH-FNCQTZNRSA-N
XLogP5.23
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
CID 138964219
2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
CID 22177287
benzene;but-1-enylbenzene
CID 157481332
CID 140512150
CID 140512150
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
CID 134865085
3-(disulfanyl)prop-1-enylbenzene
CID 173164677
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
4-phenylbut-3-enyl formate
CID 91350820
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
1,1-dioxo-3-[(E)-3-phenylprop-2-enyl]thiolane-3-carbonitrile
CID 114277499

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide?
The IUPAC name of 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide (CID 101200919) is 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide.
What is the SMILES notation for 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide?
The canonical SMILES for 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide is [C-]1=[O+]CCC1(C/C=C/c1ccccc1)C/C=C/c1ccccc1.
What is the InChIKey of 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide?
The InChIKey is ZVSIJPAGOLAEFH-FNCQTZNRSA-N. The full InChI is InChI=1S/C22H22O/c1-3-9-20(10-4-1)13-7-15-22(17-18-23-19-22)16-8-14-21-11-5-2-6-12-21/h1-14H,15-18H2/b13-7+,14-8+.
What are the key properties of 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide?
4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide has a molecular weight of 302.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[(E)-3-phenylprop-2-enyl]-3,5-dihydro-2H-furan-1-ium-5-ide is sourced from PubChem (CID 101200919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).